Quantum Corrections to the Thomas–Fermi Approximation—The Kirzhnits Method

1973 ◽  
Vol 51 (13) ◽  
pp. 1428-1437 ◽  
Author(s):  
C. H. Hodges

The method of Kirzhnits for the calculation of quantum corrections to the Thomas–Fermi approximation is reviewed. An equation is derived whose iteration gives quantum corrections to the density matrix directly in terms of gradients of the potential. This is then used to calculate the correct form of the quantum correction to power 4 in the gradient operator. The validity of the quantum correction or gradient expansion method is examined by comparing the results of linear response theory using truncated gradient expansions with the exact Lindhardt result.

2021 ◽  
Vol 104 (6) ◽  
Author(s):  
Michal P. Heller ◽  
Alexandre Serantes ◽  
Michał Spaliński ◽  
Viktor Svensson ◽  
Benjamin Withers

1974 ◽  
Vol 52 (19) ◽  
pp. 1926-1932 ◽  
Author(s):  
J. A. Stauffer ◽  
J. W. Darewych

Approximate solutions to the Thomas–Fermi equation with so-called 'quantum correction terms' have been obtained by the use of a variational method. The results for krypton support the conclusions of Tomishima and Yonei that the coefficient of the gradient term should be 9/5 of the value derived by Kirzhnits. On the other hand, when the use of these equations is restricted to a region of the atom where the gradient expansion of Kirzhnits might be expected to be valid, the Kirzhnits value of the constant gives the better results, but the best results are obtained with no correction term at all (i.e. with the Thomas–Fermi–Dirac equation).


1978 ◽  
Vol 74 (1-2) ◽  
pp. 13-14 ◽  
Author(s):  
B.K. Jennings
Keyword(s):  

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